CID 130115454

6-bromo-2-chloro-1h-imidazo[4,5-b]pyrazine

Structural Information

Molecular Formula
C5H2BrClN4
SMILES
C1=C(N=C2C(=N1)N=C(N2)Cl)Br
InChI
InChI=1S/C5H2BrClN4/c6-2-1-8-3-4(9-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKey
XFXYCKYBPJVKHW-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3H-imidazo[4,5-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.91515 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.92243 141.6
[M+Na]+ 254.90437 147.3
[M+NH4]+ 249.94897 146.1
[M+K]+ 270.87831 148.0
[M-H]- 230.90787 140.3
[M+Na-2H]- 252.88982 145.1
[M]+ 231.91460 141.1
[M]- 231.91570 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.